(5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide

C25H36N2O2 — CID 98427691

IUPAC(5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)C(=O)NC(C)(C)C)(C4)C2)C3)cc1
InChIInChI=1S/C25H36N2O2/c1-16-6-8-20(9-7-16)24-11-18-10-19(12-24)14-25(13-18,15-24)22(29)26-17(2)21(28)27-23(3,4)5/h6-9,17-19H,10-15H2,1-5H3,(H,26,29)(H,27,28)/t17-,18-,19-,24?,25?/m1/s1
InChIKeyDMFGGKLOSMKXRR-SWXLXEMESA-N
MW396.58 g/mol
LogP4.25
Rot. Bonds4

About (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide

(5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide (PubChem CID 98427691) has the molecular formula C25H36N2O2 and a molecular weight of 396.58 g/mol. Its IUPAC name is (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name(5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide
PubChem CID98427691
Molecular FormulaC25H36N2O2
Molecular Weight396.58 g/mol
Exact Mass396.28
IUPAC Name(5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide
SMILESCc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)C(=O)NC(C)(C)C)(C4)C2)C3)cc1
InChIInChI=1S/C25H36N2O2/c1-16-6-8-20(9-7-16)24-11-18-10-19(12-24)14-25(13-18,15-24)22(29)26-17(2)21(28)27-23(3,4)5/h6-9,17-19H,10-15H2,1-5H3,(H,26,29)(H,27,28)/t17-,18-,19-,24?,25?/m1/s1
InChIKeyDMFGGKLOSMKXRR-SWXLXEMESA-N
XLogP4.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.58
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 2133286
2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]propanoic acid
CID 6591742
(5R,7R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide
CID 98144224
(2S)-3-methyl-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]butanoic acid
CID 7375936
(2R)-3-methyl-2-[[(5S,7R)-3-(4-methylphenyl)adamantane-1-carbonyl]amino]butanoic acid
CID 25397996
N-[1-(tert-butylamino)-1-oxopropan-2-yl]adamantane-1-carboxamide
CID 3344892
methyl 3-(4-methylphenyl)adamantane-1-carboxylate
CID 3985939
methyl (5R,7R)-3-(4-methylphenyl)adamantane-1-carboxylate
CID 98116671
(5R,7R)-3-(4-methoxyphenyl)-N-propan-2-yladamantane-1-carboxamide
CID 98138085
(5S,7R)-N-(1-adamantylmethyl)-3-(4-methylphenyl)adamantane-1-carboxamide
CID 7312500
(5R,7R)-3-(4-methylphenyl)-N-prop-2-enyladamantane-1-carboxamide
CID 98185677
methyl 2-[[3-(4-nitrophenyl)adamantane-1-carbonyl]amino]propanoate
CID 5229640

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The IUPAC name of (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide (CID 98427691) is (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide.
What is the SMILES notation for (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The canonical SMILES for (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide is Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)C(=O)NC(C)(C)C)(C4)C2)C3)cc1.
What is the InChIKey of (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide?
The InChIKey is DMFGGKLOSMKXRR-SWXLXEMESA-N. The full InChI is InChI=1S/C25H36N2O2/c1-16-6-8-20(9-7-16)24-11-18-10-19(12-24)14-25(13-18,15-24)22(29)26-17(2)21(28)27-23(3,4)5/h6-9,17-19H,10-15H2,1-5H3,(H,26,29)(H,27,28)/t17-,18-,19-,24?,25?/m1/s1.
What are the key properties of (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide?
(5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide has a molecular weight of 396.58 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7R)-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-3-(4-methylphenyl)adamantane-1-carboxamide is sourced from PubChem (CID 98427691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).