N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide

C24H29N3O4 — CID 10938777

IUPACN-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide
SMILESN#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1
InChIInChI=1S/C24H29N3O4/c25-15-20(17-30-16-19-10-5-2-6-11-19)26-23(28)21(14-18-8-3-1-4-9-18)27-24(29)22-12-7-13-31-22/h2,5-7,10-13,18,20-21H,1,3-4,8-9,14,16-17H2,(H,26,28)(H,27,29)/t20-,21+/m1/s1
InChIKeyRTOCGWNASWAJDD-RTWAWAEBSA-N
MW423.51 g/mol
LogP3.57
Rot. Bonds10

About N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide

N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide (PubChem CID 10938777) has the molecular formula C24H29N3O4 and a molecular weight of 423.51 g/mol. Its IUPAC name is N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide
PubChem CID10938777
Molecular FormulaC24H29N3O4
Molecular Weight423.51 g/mol
Exact Mass423.22
IUPAC NameN-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide
SMILESN#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1
InChIInChI=1S/C24H29N3O4/c25-15-20(17-30-16-19-10-5-2-6-11-19)26-23(28)21(14-18-8-3-1-4-9-18)27-24(29)22-12-7-13-31-22/h2,5-7,10-13,18,20-21H,1,3-4,8-9,14,16-17H2,(H,26,28)(H,27,29)/t20-,21+/m1/s1
InChIKeyRTOCGWNASWAJDD-RTWAWAEBSA-N
XLogP3.57
TPSA104.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

A 317920
CID 10389213
CL82198
CID 2777
N-(2-Furylmethyl)benzamide
CID 236716
N-(1-phenylethyl)-1-benzofuran-2-carboxamide
CID 2788390
Arylaminoethyl amide deriv. 17
CID 11419952
5-(4-chlorophenyl)-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide
CID 44182306
Furan-2-carboxamide deriv., 16
CID 44236902
Furan-2-carboxamide deriv., 17
CID 44236903
Furan-2-carboxamide deriv., 19
CID 44236905
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxo-1-[[(2S)-1-oxo-3-[(3S)-2-oxopiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 162515877
1-Adamantanecarboxylic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester
CID 2998659
6-{(S)-2-[(Benzofuran-2-carbonyl)-amino]-5-benzyloxycarbonylamino-pentanoylamino}-hexanoic acid
CID 11249458

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide (CID 10938777) is N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide is N#C[C@H](COCc1ccccc1)NC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccco1.
What is the InChIKey of N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide?
The InChIKey is RTOCGWNASWAJDD-RTWAWAEBSA-N. The full InChI is InChI=1S/C24H29N3O4/c25-15-20(17-30-16-19-10-5-2-6-11-19)26-23(28)21(14-18-8-3-1-4-9-18)27-24(29)22-12-7-13-31-22/h2,5-7,10-13,18,20-21H,1,3-4,8-9,14,16-17H2,(H,26,28)(H,27,29)/t20-,21+/m1/s1.
What are the key properties of N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide?
N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 3.57, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1R)-1-cyano-2-phenylmethoxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 10938777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).