(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide

C24H28N4O4 — CID 167001986

IUPAC(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide
SMILESO=CN[C@H](C(=O)NC1CCC(NC(=O)[C@H](NC=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H28N4O4/c29-15-25-21(17-7-3-1-4-8-17)23(31)27-19-11-13-20(14-12-19)28-24(32)22(26-16-30)18-9-5-2-6-10-18/h1-10,15-16,19-22H,11-14H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)/t19?,20?,21-,22+
InChIKeyJFLRGMITQKBRLL-JQBYJRRVSA-N
MW436.51 g/mol
LogP1.50
Rot. Bonds10

About (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide

(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide (PubChem CID 167001986) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide
PubChem CID167001986
Molecular FormulaC24H28N4O4
Molecular Weight436.51 g/mol
Exact Mass436.21
IUPAC Name(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide
SMILESO=CN[C@H](C(=O)NC1CCC(NC(=O)[C@H](NC=O)c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C24H28N4O4/c29-15-25-21(17-7-3-1-4-8-17)23(31)27-19-11-13-20(14-12-19)28-24(32)22(26-16-30)18-9-5-2-6-10-18/h1-10,15-16,19-22H,11-14H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)/t19?,20?,21-,22+
InChIKeyJFLRGMITQKBRLL-JQBYJRRVSA-N
XLogP1.50
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-formamido-N,2-diphenylacetamide
CID 167282535
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CID 26619889
N-cyclopropyl-2-[(1-methylpyrazol-3-yl)amino]-2-phenylacetamide
CID 42897384
2-amino-N-(4-aminocyclohexyl)-2-phenylacetamide
CID 62320729
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CID 8646021
(2R)-2-[(2-chlorophenyl)methylamino]-N-cyclopropyl-2-phenylacetamide
CID 31878604
(2S)-N-cyclopropyl-2-[[(S)-furan-2-yl(phenyl)methyl]amino]-2-phenylacetamide
CID 8756132
benzyl N-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]carbamate
CID 97267837
(2R)-N-cyclopropyl-2-phenyl-2-[[(S)-phenyl(thiophen-2-yl)methyl]amino]acetamide
CID 9051615
(2S)-N-cyclopropyl-2-(2-methoxyanilino)-2-phenylacetamide
CID 41012863
N-cyclopropyl-2-(3,4-difluoroanilino)-2-phenylacetamide
CID 51248536

Frequently Asked Questions

What is the IUPAC name of (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide (CID 167001986) is (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide is O=CN[C@H](C(=O)NC1CCC(NC(=O)[C@H](NC=O)c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide?
The InChIKey is JFLRGMITQKBRLL-JQBYJRRVSA-N. The full InChI is InChI=1S/C24H28N4O4/c29-15-25-21(17-7-3-1-4-8-17)23(31)27-19-11-13-20(14-12-19)28-24(32)22(26-16-30)18-9-5-2-6-10-18/h1-10,15-16,19-22H,11-14H2,(H,25,29)(H,26,30)(H,27,31)(H,28,32)/t19?,20?,21-,22+.
What are the key properties of (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide?
(2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide has a molecular weight of 436.51 g/mol, XLogP of 1.50, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-formamido-N-[4-[[(2R)-2-formamido-2-phenylacetyl]amino]cyclohexyl]-2-phenylacetamide is sourced from PubChem (CID 167001986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).