(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

C18H25NO — CID 7102723

IUPAC(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C18H25NO/c1-2-3-4-13-6-9-16(10-7-13)19-18(20)17-12-14-5-8-15(17)11-14/h6-7,9-10,14-15,17H,2-5,8,11-12H2,1H3,(H,19,20)/t14-,15-,17-/m0/s1
InChIKeyPKCXZIIGNLTGJK-ZOBUZTSGSA-N
MW271.40 g/mol
LogP4.40
Rot. Bonds5

About (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide

(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 7102723) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID7102723
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESCCCCc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1
InChIInChI=1S/C18H25NO/c1-2-3-4-13-6-9-16(10-7-13)19-18(20)17-12-14-5-8-15(17)11-14/h6-7,9-10,14-15,17H,2-5,8,11-12H2,1H3,(H,19,20)/t14-,15-,17-/m0/s1
InChIKeyPKCXZIIGNLTGJK-ZOBUZTSGSA-N
XLogP4.40
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(2-bromoethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 114310290
(1S,2R,4S)-N-[4-(diethylamino)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 6952943
(1R,2S)-N-(4-methylphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939209
(1S,2S,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 7101788
(1R,2R,4S)-N-(4-ethoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 839866
propyl 4-(bicyclo[2.2.1]heptane-2-carbonylamino)benzoate
CID 3386849
ethyl 4-[[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]amino]benzoate
CID 7302295
(1R,2R)-N-(4-methoxyphenyl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100939210
N-[4-(trifluoromethyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 47124816
N-[4-(3-hydroxyprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60805037
N-[4-(3-aminoprop-1-ynyl)phenyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 60802889
(1S,2S,4S)-N-(1-ethylpyrazol-4-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 100569266

Frequently Asked Questions

What is the IUPAC name of (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide (CID 7102723) is (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is CCCCc1ccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1.
What is the InChIKey of (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is PKCXZIIGNLTGJK-ZOBUZTSGSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-3-4-13-6-9-16(10-7-13)19-18(20)17-12-14-5-8-15(17)11-14/h6-7,9-10,14-15,17H,2-5,8,11-12H2,1H3,(H,19,20)/t14-,15-,17-/m0/s1.
What are the key properties of (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide?
(1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 271.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,4S)-N-(4-butylphenyl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 7102723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).