N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

C27H35N3O4 — CID 25357652

IUPACN-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H35N3O4/c1-19(27(33)30(20-11-4-2-5-12-20)21-13-6-3-7-14-21)28-25(31)22-15-8-9-16-23(22)29-26(32)24-17-10-18-34-24/h8-10,15-21H,2-7,11-14H2,1H3,(H,28,31)(H,29,32)/t19-/m0/s1
InChIKeyUDWFJIBYAWHISY-IBGZPJMESA-N
MW465.59 g/mol
LogP5.14
Rot. Bonds7

About N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide

N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 25357652) has the molecular formula C27H35N3O4 and a molecular weight of 465.59 g/mol. Its IUPAC name is N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID25357652
Molecular FormulaC27H35N3O4
Molecular Weight465.59 g/mol
Exact Mass465.26
IUPAC NameN-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
SMILESC[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H35N3O4/c1-19(27(33)30(20-11-4-2-5-12-20)21-13-6-3-7-14-21)28-25(31)22-15-8-9-16-23(22)29-26(32)24-17-10-18-34-24/h8-10,15-21H,2-7,11-14H2,1H3,(H,28,31)(H,29,32)/t19-/m0/s1
InChIKeyUDWFJIBYAWHISY-IBGZPJMESA-N
XLogP5.14
TPSA91.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.59
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide with MolForge

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Related Compounds

2-[[2-(furan-2-carbonylamino)benzoyl]amino]propanoate
CID 3487490
N-[1-[cycloheptyl(methyl)amino]-1-oxopropan-2-yl]furan-2-carboxamide
CID 51287171
N-[2-[[1-(cyclohexylamino)-1-oxobutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 2930202
N-[2-[[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 7612713
N-[2-(cyclopropylcarbamoyl)phenyl]furan-2-carboxamide
CID 6460363
2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylbutanoate
CID 4158153
(2R,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoic acid
CID 829507
methyl (2S,3S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-methylpentanoate
CID 7033926
(2R)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]butanoate
CID 7430265
(2S)-2-[[2-(furan-2-carbonylamino)benzoyl]amino]-3-phenylpropanoate
CID 7482305
N-[2-[(propanoylamino)carbamoyl]phenyl]furan-2-carboxamide
CID 126003002
N-[2-[(2S)-2-methylpiperidine-1-carbonyl]phenyl]furan-2-carboxamide
CID 849804

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide (CID 25357652) is N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is C[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is UDWFJIBYAWHISY-IBGZPJMESA-N. The full InChI is InChI=1S/C27H35N3O4/c1-19(27(33)30(20-11-4-2-5-12-20)21-13-6-3-7-14-21)28-25(31)22-15-8-9-16-23(22)29-26(32)24-17-10-18-34-24/h8-10,15-21H,2-7,11-14H2,1H3,(H,28,31)(H,29,32)/t19-/m0/s1.
What are the key properties of N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide?
N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 465.59 g/mol, XLogP of 5.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2S)-1-(dicyclohexylamino)-1-oxopropan-2-yl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 25357652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).