methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate

C14H19N3O3 — CID 79854067

IUPACmethyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-13(19)17-11-5-3-10(4-6-11)16-12(18)9-14(15)7-2-8-14/h3-6H,2,7-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNTQCMGLMZSWTBS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.07
Rot. Bonds4

About methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate

methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate (PubChem CID 79854067) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
PubChem CID79854067
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)CC2(N)CCC2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-13(19)17-11-5-3-10(4-6-11)16-12(18)9-14(15)7-2-8-14/h3-6H,2,7-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyNTQCMGLMZSWTBS-UHFFFAOYSA-N
XLogP2.07
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-N-[4-(methoxymethyl)phenyl]acetamide
CID 114253141
2-(1-aminocyclobutyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 79851270
2-(1-aminocyclopentyl)-N-(4-tert-butylphenyl)acetamide
CID 64686111
propan-2-yl 4-[[2-(1-aminocyclobutyl)acetyl]amino]benzoate
CID 79843320
4-[[2-(1-aminocyclopentyl)acetyl]amino]benzoic acid
CID 64678175
2-(1-aminocyclopentyl)-N-[4-(diethylamino)phenyl]acetamide
CID 64685802
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
CID 64684135
(1-aminocyclohexyl)methyl N-(4-methoxyphenyl)carbamate
CID 79337138
2-(1-aminocyclopentyl)-N-[4-(difluoromethoxy)phenyl]acetamide
CID 64683969
(1-aminocycloheptyl)methyl N-(4-methylphenyl)carbamate
CID 79338062
5-[[2-(1-aminocyclobutyl)acetyl]amino]-2-methylbenzoic acid
CID 79854745
2-(1-aminocyclobutyl)-N-[3-(dimethylamino)-4-methylphenyl]acetamide
CID 115377322

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate (CID 79854067) is methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)CC2(N)CCC2)cc1.
What is the InChIKey of methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate?
The InChIKey is NTQCMGLMZSWTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-13(19)17-11-5-3-10(4-6-11)16-12(18)9-14(15)7-2-8-14/h3-6H,2,7-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate?
methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate has a molecular weight of 277.32 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2-(1-aminocyclobutyl)acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 79854067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).