N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide

C17H24N4O2 — CID 87008083

IUPACN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(18-17(23)21-10-2-3-11-21)13-4-6-14(7-5-13)19-16(22)20-15-8-9-15/h4-7,12,15H,2-3,8-11H2,1H3,(H,18,23)(H2,19,20,22)
InChIKeyYCBRWVVNKPOZFW-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.84
Rot. Bonds4

About N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide

N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide (PubChem CID 87008083) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
PubChem CID87008083
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC NameN-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
SMILESCC(NC(=O)N1CCCC1)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H24N4O2/c1-12(18-17(23)21-10-2-3-11-21)13-4-6-14(7-5-13)19-16(22)20-15-8-9-15/h4-7,12,15H,2-3,8-11H2,1H3,(H,18,23)(H2,19,20,22)
InChIKeyYCBRWVVNKPOZFW-UHFFFAOYSA-N
XLogP2.84
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97317392
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidine-1-carboxamide
CID 94647353
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
1-[4-[1-(methylamino)ethyl]phenyl]-3-(1-methylpiperidin-4-yl)urea
CID 61340940
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
N-[1-(4-bromophenyl)ethyl]pyrrolidine-1-carboxamide
CID 75833905
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
CID 129359325
N-(1-phenylethyl)pyrrolidine-1-carboxamide
CID 108987850
N-[1-(4-chlorophenyl)ethyl]-4-(cyclopropanecarbonyl)-1,4-diazepane-1-carboxamide
CID 86802689
N-[4-[(1R)-1-(cyclohexylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94148286
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
N-[4-[1-(methylamino)ethyl]phenyl]pyrrolidine-1-carboxamide
CID 61339985

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide (CID 87008083) is N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide is CC(NC(=O)N1CCCC1)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide?
The InChIKey is YCBRWVVNKPOZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12(18-17(23)21-10-2-3-11-21)13-4-6-14(7-5-13)19-16(22)20-15-8-9-15/h4-7,12,15H,2-3,8-11H2,1H3,(H,18,23)(H2,19,20,22).
What are the key properties of N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide?
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 87008083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).