(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide

C23H30N2O2 — CID 98092900

IUPAC(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1NC(=O)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C23H30N2O2/c1-13-10-11-14(24-22(26)20-15-6-2-3-7-16(15)20)12-19(13)25-23(27)21-17-8-4-5-9-18(17)21/h10-12,15-18,20-21H,2-9H2,1H3,(H,24,26)(H,25,27)/t15-,16-,17-,18+,21?/m0/s1
InChIKeyNWCBYUQVZYGLIH-PROCJTSXSA-N
MW366.50 g/mol
LogP4.74
Rot. Bonds4

About (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide

(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 98092900) has the molecular formula C23H30N2O2 and a molecular weight of 366.50 g/mol. Its IUPAC name is (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound Name(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID98092900
Molecular FormulaC23H30N2O2
Molecular Weight366.50 g/mol
Exact Mass366.23
IUPAC Name(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
SMILESCc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1NC(=O)C1[C@H]2CCCC[C@@H]12
InChIInChI=1S/C23H30N2O2/c1-13-10-11-14(24-22(26)20-15-6-2-3-7-16(15)20)12-19(13)25-23(27)21-17-8-4-5-9-18(17)21/h10-12,15-18,20-21H,2-9H2,1H3,(H,24,26)(H,25,27)/t15-,16-,17-,18+,21?/m0/s1
InChIKeyNWCBYUQVZYGLIH-PROCJTSXSA-N
XLogP4.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.50
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide with MolForge

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Related Compounds

(1S,6R)-N-[3-[[(1R,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 1113205
(1R,6S)-N-(2-methylphenyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 796671
N-(5-acetamido-2-methylphenyl)cyclopentanecarboxamide
CID 46455101
(1R,6R)-N-[4-[4-[[(1S,6S)-bicyclo[4.1.0]heptane-7-carbonyl]amino]phenyl]phenyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 6968106
(1R,4Z,8R)-N-(3-chloro-4-methylphenyl)bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5412789
N-(3,4-dimethylphenyl)-7-phenylbicyclo[3.1.1]heptane-6-carboxamide
CID 2893058
N-[3-(2,2-dimethylpropanoylamino)-4-methylphenyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015790
N-(3-acetamido-4-methylphenyl)-2-(cyclopentylamino)acetamide
CID 60851393
N-[3-[[2-(dimethylamino)acetyl]amino]-4-methylphenyl]cycloheptanecarboxamide
CID 131911889
4-(bicyclo[4.1.0]heptane-7-carbonylamino)-2-methoxybenzoic acid
CID 107208684
N-(1H-indazol-6-yl)bicyclo[4.1.0]heptane-7-carboxamide
CID 136529699
(2S)-N-[5-(cyclopentanecarbonylamino)-2-methylphenyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 131898261

Frequently Asked Questions

What is the IUPAC name of (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide (CID 98092900) is (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide is Cc1ccc(NC(=O)C2[C@H]3CCCC[C@H]23)cc1NC(=O)C1[C@H]2CCCC[C@@H]12.
What is the InChIKey of (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is NWCBYUQVZYGLIH-PROCJTSXSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-13-10-11-14(24-22(26)20-15-6-2-3-7-16(15)20)12-19(13)25-23(27)21-17-8-4-5-9-18(17)21/h10-12,15-18,20-21H,2-9H2,1H3,(H,24,26)(H,25,27)/t15-,16-,17-,18+,21?/m0/s1.
What are the key properties of (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide?
(1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 366.50 g/mol, XLogP of 4.74, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6S)-N-[3-[[(1S,6R)-bicyclo[4.1.0]heptane-7-carbonyl]amino]-4-methylphenyl]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 98092900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).