1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide

C14H19N3O3 — CID 115452598

IUPAC1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2OCCC(N)=O)CC1
InChIInChI=1S/C14H19N3O3/c15-9-14(6-7-14)13(19)17-10-3-1-2-4-11(10)20-8-5-12(16)18/h1-4H,5-9,15H2,(H2,16,18)(H,17,19)
InChIKeyCFFCDAXGDDESGT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.62
Rot. Bonds7

About 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide

1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide (PubChem CID 115452598) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
PubChem CID115452598
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide
SMILESNCC1(C(=O)Nc2ccccc2OCCC(N)=O)CC1
InChIInChI=1S/C14H19N3O3/c15-9-14(6-7-14)13(19)17-10-3-1-2-4-11(10)20-8-5-12(16)18/h1-4H,5-9,15H2,(H2,16,18)(H,17,19)
InChIKeyCFFCDAXGDDESGT-UHFFFAOYSA-N
XLogP0.62
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(2-propoxyphenyl)cyclopropane-1-carboxamide
CID 113312751
1-(aminomethyl)-N-[2-(2,2,2-trifluoroethoxy)phenyl]cyclopropane-1-carboxamide
CID 115452417
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
1-(aminomethyl)-N-[2-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 113312782
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-[2-(3-amino-3-oxopropoxy)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 119733604
1-(aminomethyl)-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 80587108
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-(ethylamino)propanamide
CID 62831978
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-3-methylbutanamide
CID 43712567
3-[2-[(4-fluorophenyl)methylamino]phenoxy]propanamide
CID 43729736

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide (CID 115452598) is 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide is NCC1(C(=O)Nc2ccccc2OCCC(N)=O)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide?
The InChIKey is CFFCDAXGDDESGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c15-9-14(6-7-14)13(19)17-10-3-1-2-4-11(10)20-8-5-12(16)18/h1-4H,5-9,15H2,(H2,16,18)(H,17,19).
What are the key properties of 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide?
1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.62, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[2-(3-amino-3-oxopropoxy)phenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115452598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).