1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide

C14H19N3O3 — CID 119776874

IUPAC1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide
SMILESCNC(=O)CCOc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C14H19N3O3/c1-16-12(18)6-9-20-11-4-2-10(3-5-11)17-13(19)14(15)7-8-14/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyFISKTHHDPOUAHX-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.63
Rot. Bonds6

About 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide

1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide (PubChem CID 119776874) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide
PubChem CID119776874
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide
SMILESCNC(=O)CCOc1ccc(NC(=O)C2(N)CC2)cc1
InChIInChI=1S/C14H19N3O3/c1-16-12(18)6-9-20-11-4-2-10(3-5-11)17-13(19)14(15)7-8-14/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19)
InChIKeyFISKTHHDPOUAHX-UHFFFAOYSA-N
XLogP0.63
TPSA93.45 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 ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide (CID 119776874) is 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide is CNC(=O)CCOc1ccc(NC(=O)C2(N)CC2)cc1.
What is the InChIKey of 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide?
The InChIKey is FISKTHHDPOUAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-16-12(18)6-9-20-11-4-2-10(3-5-11)17-13(19)14(15)7-8-14/h2-5H,6-9,15H2,1H3,(H,16,18)(H,17,19).
What are the key properties of 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide?
1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-[3-(methylamino)-3-oxopropoxy]phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119776874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).