trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide

C16H21N5O2 — CID 129437157

IUPACtrans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESCOc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](C)c2nn[nH]n2)c1
InChIInChI=1S/C16H21N5O2/c1-10(15-17-19-20-18-15)9-21(2)16(22)14-8-13(14)11-5-4-6-12(7-11)23-3/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,18,19,20)/t10-,13-,14+/m0/s1
InChIKeyWMEMABXRLRCNBR-LEWSCRJBSA-N
MW315.38 g/mol
LogP1.57
Rot. Bonds6

About trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide (PubChem CID 129437157) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
PubChem CID129437157
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Nametrans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide
SMILESCOc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](C)c2nn[nH]n2)c1
InChIInChI=1S/C16H21N5O2/c1-10(15-17-19-20-18-15)9-21(2)16(22)14-8-13(14)11-5-4-6-12(7-11)23-3/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,18,19,20)/t10-,13-,14+/m0/s1
InChIKeyWMEMABXRLRCNBR-LEWSCRJBSA-N
XLogP1.57
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyphenyl)-N-methyl-N-[2-(2H-tetrazol-5-yl)propyl]propanamide
CID 91649078
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-methylamino]propanoic acid
CID 119209130
N-methoxy-2-(3-methoxyphenyl)-N-methylcyclopropane-1-carboxamide
CID 22347517
2-[[2-(3-methoxyphenyl)cyclopropanecarbonyl]-(2-methylpropyl)amino]acetic acid
CID 119193022
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
trans-(1R,2R)-N,N-dimethyl-2-[3-(2H-tetrazol-5-yl)phenyl]cyclopropane-1-carboxamide
CID 166311782
N-(2-hydroxypropyl)-N-methyl-2-phenylcyclopropane-1-carboxamide
CID 79543844
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(3S,4R)-N-benzyl-4-(3-methoxyphenyl)-N-methyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 93154413
(3R,4R)-N-benzyl-4-(3-methoxyphenyl)-N-methyl-1-(3-methylbutanoyl)pyrrolidine-3-carboxamide
CID 93154415
(2S,3S)-2-[[(1R,2R)-2-(3-methoxyphenyl)cyclopropanecarbonyl]amino]-3-methylpentanoic acid
CID 97324073
1-(cyclopropylcarbamothioyl)-N-ethyl-4-(3-methoxyphenyl)-N-methylpyrrolidine-3-carboxamide
CID 42830475

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide (CID 129437157) is trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide is COc1cccc([C@@H]2C[C@H]2C(=O)N(C)C[C@H](C)c2nn[nH]n2)c1.
What is the InChIKey of trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide?
The InChIKey is WMEMABXRLRCNBR-LEWSCRJBSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10(15-17-19-20-18-15)9-21(2)16(22)14-8-13(14)11-5-4-6-12(7-11)23-3/h4-7,10,13-14H,8-9H2,1-3H3,(H,17,18,19,20)/t10-,13-,14+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methoxyphenyl)-N-methyl-N-[(2S)-2-(2H-tetrazol-5-yl)propyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 129437157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).