N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

C21H26N4O4 — CID 95145619

IUPACN-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H26N4O4/c1-14(23-20(27)15-5-2-3-6-15)19(26)24-16-8-10-17(11-9-16)25-21(28)22-13-18-7-4-12-29-18/h4,7-12,14-15H,2-3,5-6,13H2,1H3,(H,23,27)(H,24,26)(H2,22,25,28)/t14-/m1/s1
InChIKeyKELDDUQTNDVFJQ-CQSZACIVSA-N
MW398.46 g/mol
LogP3.23
Rot. Bonds7

About N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide

N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (PubChem CID 95145619) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
PubChem CID95145619
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC NameN-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
SMILESC[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1
InChIInChI=1S/C21H26N4O4/c1-14(23-20(27)15-5-2-3-6-15)19(26)24-16-8-10-17(11-9-16)25-21(28)22-13-18-7-4-12-29-18/h4,7-12,14-15H,2-3,5-6,13H2,1H3,(H,23,27)(H,24,26)(H2,22,25,28)/t14-/m1/s1
InChIKeyKELDDUQTNDVFJQ-CQSZACIVSA-N
XLogP3.23
TPSA112.47 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94216559
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]cyclohexanecarboxamide
CID 35334881
(2R)-2-acetamido-N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]propanamide
CID 29367214
tert-butyl N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]carbamate
CID 55560299
5-bromo-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55833038
N-[(2R)-1-anilino-1-oxopropan-2-yl]cyclohexanecarboxamide
CID 94194364
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2,2-diphenylacetamide
CID 35335039
N-[4-(furan-2-ylmethylcarbamoylamino)phenyl]-2-phenyl-2-pyrrolidin-1-ylacetamide
CID 86885500
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
N-[(2S)-1-[4-(methanesulfonamido)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide
CID 94117942
4-tert-butyl-N-[1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 134050577
N-[2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]ethyl]cyclopropanecarboxamide
CID 115574214

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide (CID 95145619) is N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is C[C@@H](NC(=O)C1CCCC1)C(=O)Nc1ccc(NC(=O)NCc2ccco2)cc1.
What is the InChIKey of N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
The InChIKey is KELDDUQTNDVFJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-14(23-20(27)15-5-2-3-6-15)19(26)24-16-8-10-17(11-9-16)25-21(28)22-13-18-7-4-12-29-18/h4,7-12,14-15H,2-3,5-6,13H2,1H3,(H,23,27)(H,24,26)(H2,22,25,28)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide?
N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide has a molecular weight of 398.46 g/mol, XLogP of 3.23, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[4-(furan-2-ylmethylcarbamoylamino)anilino]-1-oxopropan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 95145619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).