methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate

C15H21N3O2 — CID 62980774

IUPACmethyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-20-15(19)17-12-4-2-11(3-5-12)16-13-8-9-18(10-13)14-6-7-14/h2-5,13-14,16H,6-10H2,1H3,(H,17,19)
InChIKeyLPWVYPCXLYXYIW-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.51
Rot. Bonds4

About methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate

methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate (PubChem CID 62980774) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
PubChem CID62980774
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Namemethyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate
SMILESCOC(=O)Nc1ccc(NC2CCN(C3CC3)C2)cc1
InChIInChI=1S/C15H21N3O2/c1-20-15(19)17-12-4-2-11(3-5-12)16-13-8-9-18(10-13)14-6-7-14/h2-5,13-14,16H,6-10H2,1H3,(H,17,19)
InChIKeyLPWVYPCXLYXYIW-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 106594042
4-N-(1-cyclopropylpyrrolidin-3-yl)-2-methoxybenzene-1,4-diamine
CID 63676263
methyl N-[4-[(3-methoxycyclobutyl)amino]phenyl]carbamate
CID 104870398
methyl N-[4-[(4-ethylcyclohexyl)amino]phenyl]carbamate
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1-(1-cyclopropylpyrrolidin-3-yl)-3-phenylurea
CID 47816038
3-[(1-cyclopropylpyrrolidin-3-yl)amino]-4-methoxybenzoic acid
CID 63742450
methyl N-[4-[[(3S)-3-pyrrolidin-1-ylpiperidine-1-carbonyl]amino]phenyl]carbamate
CID 99808497
methyl N-(1-cyclohexylpyrrolidin-3-yl)carbamate
CID 110477693
6-[(1-cyclopropylpyrrolidin-3-yl)amino]-1,4-dihydroquinoxaline-2,3-dione
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1-(1-cyclopropylpiperidin-4-yl)-3-(4-methylphenyl)urea
CID 17457458

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate?
The IUPAC name of methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate (CID 62980774) is methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate.
What is the SMILES notation for methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate?
The canonical SMILES for methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate is COC(=O)Nc1ccc(NC2CCN(C3CC3)C2)cc1.
What is the InChIKey of methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate?
The InChIKey is LPWVYPCXLYXYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-20-15(19)17-12-4-2-11(3-5-12)16-13-8-9-18(10-13)14-6-7-14/h2-5,13-14,16H,6-10H2,1H3,(H,17,19).
What are the key properties of methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate?
methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate has a molecular weight of 275.35 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[(1-cyclopropylpyrrolidin-3-yl)amino]phenyl]carbamate is sourced from PubChem (CID 62980774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).