4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide

C17H26N4O2 — CID 120560719

IUPAC4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
SMILESCC(N)CCC(=O)NC(C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H26N4O2/c1-11(18)3-10-16(22)19-12(2)13-4-6-14(7-5-13)20-17(23)21-15-8-9-15/h4-7,11-12,15H,3,8-10,18H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyMAUWTKSDCCGFIH-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.28
Rot. Bonds7

About 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide

4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide (PubChem CID 120560719) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
PubChem CID120560719
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
SMILESCC(N)CCC(=O)NC(C)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C17H26N4O2/c1-11(18)3-10-16(22)19-12(2)13-4-6-14(7-5-13)20-17(23)21-15-8-9-15/h4-7,11-12,15H,3,8-10,18H2,1-2H3,(H,19,22)(H2,20,21,23)
InChIKeyMAUWTKSDCCGFIH-UHFFFAOYSA-N
XLogP2.28
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
CID 119295841
7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
CID 119735214
(2S)-2-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 119295849
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
3-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methyl-1-(2-methylprop-2-enyl)urea
CID 75518103
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pyrrolidine-1-carboxamide
CID 87008083
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
1-[4-(1-aminoethyl)phenyl]-3-cyclobutylurea
CID 62414254
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937198
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062
4-amino-N-[1-(4-chlorophenyl)ethyl]pentanamide;hydrochloride
CID 120559125
N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1-methylsulfanylcyclobutane-1-carboxamide
CID 129359325

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide?
The IUPAC name of 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide (CID 120560719) is 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide.
What is the SMILES notation for 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide?
The canonical SMILES for 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide is CC(N)CCC(=O)NC(C)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide?
The InChIKey is MAUWTKSDCCGFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-11(18)3-10-16(22)19-12(2)13-4-6-14(7-5-13)20-17(23)21-15-8-9-15/h4-7,11-12,15H,3,8-10,18H2,1-2H3,(H,19,22)(H2,20,21,23).
What are the key properties of 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide?
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide has a molecular weight of 318.42 g/mol, XLogP of 2.28, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide is sourced from PubChem (CID 120560719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).