1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

C20H31N3O3 — CID 97316852

IUPAC1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCC[C@H](C)Oc1cccc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)c1
InChIInChI=1S/C20H31N3O3/c1-5-15(2)26-17-10-8-9-16(13-17)22-19(25)21-14-20(11-6-7-12-20)18(24)23(3)4/h8-10,13,15H,5-7,11-12,14H2,1-4H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyYSMLKQSDCJBMFG-HNNXBMFYSA-N
MW361.49 g/mol
LogP3.63
Rot. Bonds7

About 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide

1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (PubChem CID 97316852) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
PubChem CID97316852
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide
SMILESCC[C@H](C)Oc1cccc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)c1
InChIInChI=1S/C20H31N3O3/c1-5-15(2)26-17-10-8-9-16(13-17)22-19(25)21-14-20(11-6-7-12-20)18(24)23(3)4/h8-10,13,15H,5-7,11-12,14H2,1-4H3,(H2,21,22,25)/t15-/m0/s1
InChIKeyYSMLKQSDCJBMFG-HNNXBMFYSA-N
XLogP3.63
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide with MolForge

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Related Compounds

1-(aminomethyl)-N-(3-butan-2-yloxyphenyl)cyclobutane-1-carboxamide
CID 80587158
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutyl)urea
CID 47392400
1-(3-butan-2-yloxyphenyl)-3-(3-methylbutan-2-yl)urea
CID 47392478
1-(3-butan-2-yloxyphenyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]urea
CID 60583718
2-[(3-butan-2-yloxyphenyl)carbamoyl-methylamino]acetic acid
CID 62329438
2-[(3-butan-2-yloxyphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62329609
N-(3-butan-2-yloxyphenyl)butanamide
CID 61394703
4-amino-N-(3-butan-2-yloxyphenyl)oxane-4-carboxamide
CID 115294807
ethyl 1-[[[3-(dimethylcarbamoyl)phenyl]carbamoylamino]methyl]cyclobutane-1-carboxylate
CID 56806860
3-amino-N-(3-butan-2-yloxyphenyl)propanamide
CID 62327879
3-amino-N-(3-butan-2-yloxyphenyl)-3-sulfanylidenepropanamide
CID 62329104
(2R)-2-amino-N-(3-butan-2-yloxyphenyl)-3-methylbutanamide
CID 79013272

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The IUPAC name of 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide (CID 97316852) is 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The canonical SMILES for 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is CC[C@H](C)Oc1cccc(NC(=O)NCC2(C(=O)N(C)C)CCCC2)c1.
What is the InChIKey of 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
The InChIKey is YSMLKQSDCJBMFG-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-5-15(2)26-17-10-8-9-16(13-17)22-19(25)21-14-20(11-6-7-12-20)18(24)23(3)4/h8-10,13,15H,5-7,11-12,14H2,1-4H3,(H2,21,22,25)/t15-/m0/s1.
What are the key properties of 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide?
1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide has a molecular weight of 361.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-[(2S)-butan-2-yl]oxyphenyl]carbamoylamino]methyl]-N,N-dimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 97316852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).