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

C15H22N4O2 — CID 119295841

IUPAC3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N4O2/c1-10(17-14(20)8-9-16)11-2-4-12(5-3-11)18-15(21)19-13-6-7-13/h2-5,10,13H,6-9,16H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyBLBRIXDLWZKFEX-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.50
Rot. Bonds6

About 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide

3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide (PubChem CID 119295841) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
PubChem CID119295841
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide
SMILESCC(NC(=O)CCN)c1ccc(NC(=O)NC2CC2)cc1
InChIInChI=1S/C15H22N4O2/c1-10(17-14(20)8-9-16)11-2-4-12(5-3-11)18-15(21)19-13-6-7-13/h2-5,10,13H,6-9,16H2,1H3,(H,17,20)(H2,18,19,21)
InChIKeyBLBRIXDLWZKFEX-UHFFFAOYSA-N
XLogP1.50
TPSA96.25 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

7-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]heptanamide
CID 119735214
4-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]pentanamide
CID 120560719
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-methyl-3-phenylpropanamide
CID 119735230
(2S)-2-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-4-methylsulfanylbutanamide
CID 119295849
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
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-2-thiomorpholin-3-ylacetamide
CID 119937198
3-amino-N-(1-phenylethyl)propanamide
CID 16784228
(2S)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1,4-dioxane-2-carboxamide
CID 94002410
(2R)-N-[(1R)-1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-1,4-dioxane-2-carboxamide
CID 94002412
1-cyclobutyl-3-[4-[1-(ethylamino)ethyl]phenyl]urea
CID 62414062

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide (CID 119295841) is 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide is CC(NC(=O)CCN)c1ccc(NC(=O)NC2CC2)cc1.
What is the InChIKey of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide?
The InChIKey is BLBRIXDLWZKFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-10(17-14(20)8-9-16)11-2-4-12(5-3-11)18-15(21)19-13-6-7-13/h2-5,10,13H,6-9,16H2,1H3,(H,17,20)(H2,18,19,21).
What are the key properties of 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide?
3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide has a molecular weight of 290.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]propanamide is sourced from PubChem (CID 119295841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).