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

C14H19N3O3 — CID 60866405

IUPACmethyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)17-12-6-4-11(5-7-12)16-13(18)9-15-8-10-2-3-10/h4-7,10,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyMBGNWAVRKHVUOD-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.80
Rot. Bonds6

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

methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate (PubChem CID 60866405) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
PubChem CID60866405
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1
InChIInChI=1S/C14H19N3O3/c1-20-14(19)17-12-6-4-11(5-7-12)16-13(18)9-15-8-10-2-3-10/h4-7,10,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyMBGNWAVRKHVUOD-UHFFFAOYSA-N
XLogP1.80
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
N-(4-fluorophenyl)-2-[(4-methylcyclohexyl)methylamino]acetamide
CID 63243623
2-(cyclopropylmethylamino)-N-(3,4-dimethylphenyl)acetamide;hydrochloride
CID 119670640
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119752578
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-(cyclopropylmethylamino)-N-(4-propoxyphenyl)acetamide
CID 55060300
methyl 2-[[2-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]acetyl]amino]acetate;hydrochloride
CID 119711546
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate (CID 60866405) is methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate is COC(=O)Nc1ccc(NC(=O)CNCC2CC2)cc1.
What is the InChIKey of methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate?
The InChIKey is MBGNWAVRKHVUOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-20-14(19)17-12-6-4-11(5-7-12)16-13(18)9-15-8-10-2-3-10/h4-7,10,15H,2-3,8-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate?
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate has a molecular weight of 277.32 g/mol, XLogP of 1.80, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate is sourced from PubChem (CID 60866405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).