N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide

C20H28N2O3 — CID 7689128

IUPACN-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O3/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)22-18(23)4-5-21-19(24)17-3-2-6-25-17/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,21,24)(H,22,23)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyZDJXPBKNWXSDSH-IVKJLDKCSA-N
MW344.46 g/mol
LogP3.12
Rot. Bonds6

About N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide

N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 7689128) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
PubChem CID7689128
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC NameN-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C20H28N2O3/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)22-18(23)4-5-21-19(24)17-3-2-6-25-17/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,21,24)(H,22,23)/t13-,14?,15?,16?,20?/m0/s1
InChIKeyZDJXPBKNWXSDSH-IVKJLDKCSA-N
XLogP3.12
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(1-adamantyl)ethylamino]-3-oxopropyl]-4-chlorobenzamide
CID 4805361
N-[3-[[(1R)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]-4-tert-butylbenzamide
CID 7929308
3-[3-(furan-2-carbonylamino)propanoylamino]butanoic acid
CID 43172663
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
[1-(1-adamantylamino)-1-oxopropan-2-yl] 3-(furan-2-carbonylamino)propanoate
CID 154763430
2-[3-(furan-2-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 43092601
N-[3-(2-ethylbutylamino)-3-oxopropyl]furan-2-carboxamide
CID 115612648
[2-[1-(1-adamantyl)ethylamino]-2-oxoethyl] 2-(furan-2-carbonylamino)-4,5-dimethoxybenzoate
CID 3320064
N-[3-[(3-hydroxy-2,2-dimethylcyclobutyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 114631244
N-[3-[[1-(4-ethylphenyl)-2-methylpropyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 43031477
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide (CID 7689128) is N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide is C[C@H](NC(=O)CCNC(=O)c1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is ZDJXPBKNWXSDSH-IVKJLDKCSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13(20-10-14-7-15(11-20)9-16(8-14)12-20)22-18(23)4-5-21-19(24)17-3-2-6-25-17/h2-3,6,13-16H,4-5,7-12H2,1H3,(H,21,24)(H,22,23)/t13-,14?,15?,16?,20?/m0/s1.
What are the key properties of N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 7689128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).