N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide

C26H32N3O3+ — CID 56989054

IUPACN-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[N+]1(Cc2ccoc2)CCCC1
InChIInChI=1S/C26H31N3O3/c1-19(2)15-24(27-25(30)23-10-9-21-7-3-4-8-22(21)16-23)26(31)28-29(12-5-6-13-29)17-20-11-14-32-18-20/h3-4,7-11,14,16,18-19,24H,5-6,12-13,15,17H2,1-2H3,(H-,27,28,30,31)/p+1/t24-/m0/s1
InChIKeyABOOVWQTBTWHOS-DEOSSOPVSA-O
MW434.56 g/mol
LogP4.42
Rot. Bonds8

About N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide

N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide (PubChem CID 56989054) has the molecular formula C26H32N3O3+ and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
PubChem CID56989054
Molecular FormulaC26H32N3O3+
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC NameN-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
SMILESCC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[N+]1(Cc2ccoc2)CCCC1
InChIInChI=1S/C26H31N3O3/c1-19(2)15-24(27-25(30)23-10-9-21-7-3-4-8-22(21)16-23)26(31)28-29(12-5-6-13-29)17-20-11-14-32-18-20/h3-4,7-11,14,16,18-19,24H,5-6,12-13,15,17H2,1-2H3,(H-,27,28,30,31)/p+1/t24-/m0/s1
InChIKeyABOOVWQTBTWHOS-DEOSSOPVSA-O
XLogP4.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.56
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-[(1-cyano-3-phenylpropyl)amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 22951581
(2S)-4-methyl-2-[2-(naphthalene-2-carbonyl)hydrazinyl]pentanoic acid
CID 142659232
N-(1-chloro-4-methylpentan-2-yl)naphthalene-2-carboxamide
CID 114300984
N-[4-methyl-1-(naphthalen-2-ylamino)-1-oxopentan-2-yl]benzamide
CID 3024355
N-[1-[[(3S,6Z)-3-hydroxy-3,4,5,8-tetrahydro-2H-oxocin-4-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide
CID 173254226
N-(1-bromopropan-2-yl)naphthalene-2-carboxamide
CID 114310701
N-[4-methyl-1-oxo-1-[[(3Z,6S)-7-oxo-5,6-dihydro-2H-oxocin-6-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 173254193
N-pentan-2-ylnaphthalene-2-carboxamide
CID 15622075
(2S)-2-(naphthalene-2-carbonylamino)pentanedioic acid
CID 54513086
N-[(2S)-1-(furan-3-yl)propan-2-yl]-4-phenylbenzamide
CID 99873173
N-[(1R)-1-(4-ethylphenyl)-2-methylpropyl]naphthalene-2-carboxamide
CID 7671180
N-[(2S)-4-methyl-1-oxo-1-[[(3S)-1-[(3-phenoxyphenyl)methyl]pyrrolidin-3-yl]amino]pentan-2-yl]naphthalene-2-carboxamide
CID 70082959

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide (CID 56989054) is N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide is CC(C)C[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[N+]1(Cc2ccoc2)CCCC1.
What is the InChIKey of N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
The InChIKey is ABOOVWQTBTWHOS-DEOSSOPVSA-O. The full InChI is InChI=1S/C26H31N3O3/c1-19(2)15-24(27-25(30)23-10-9-21-7-3-4-8-22(21)16-23)26(31)28-29(12-5-6-13-29)17-20-11-14-32-18-20/h3-4,7-11,14,16,18-19,24H,5-6,12-13,15,17H2,1-2H3,(H-,27,28,30,31)/p+1/t24-/m0/s1.
What are the key properties of N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide?
N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[1-(furan-3-ylmethyl)pyrrolidin-1-ium-1-yl]amino]-4-methyl-1-oxopentan-2-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 56989054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).