N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide

C14H19N3O2 — CID 65464216

IUPACN-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1(N)CC1
InChIInChI=1S/C14H19N3O2/c1-10(18)17(2)9-11-5-3-4-6-12(11)16-13(19)14(15)7-8-14/h3-6H,7-9,15H2,1-2H3,(H,16,19)
InChIKeySTIXMAKLHNMWCV-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.09
Rot. Bonds4

About N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide

N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide (PubChem CID 65464216) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
PubChem CID65464216
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide
SMILESCC(=O)N(C)Cc1ccccc1NC(=O)C1(N)CC1
InChIInChI=1S/C14H19N3O2/c1-10(18)17(2)9-11-5-3-4-6-12(11)16-13(19)14(15)7-8-14/h3-6H,7-9,15H2,1-2H3,(H,16,19)
InChIKeySTIXMAKLHNMWCV-UHFFFAOYSA-N
XLogP1.09
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2-ethylphenyl)cyclopropane-1-carboxamide
CID 65465258
1-amino-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]cyclopropane-1-carboxamide
CID 65464427
3-amino-N-[2-[(dimethylamino)methyl]phenyl]oxolane-3-carboxamide
CID 64891107
2-[2-[(1-aminocyclopentanecarbonyl)amino]phenyl]acetic acid
CID 62534206
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CID 43710737
(E)-4-[2-[[acetyl(methyl)amino]methyl]anilino]-4-oxobut-2-enoic acid
CID 60941940
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(azetidin-3-ylidene)propanamide
CID 116675402
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-3-aminocyclopentane-1-carboxamide
CID 66007479
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-5-hydroxypentanamide
CID 79199579
N-[2-[[acetyl(methyl)amino]methyl]phenyl]piperidine-4-carboxamide
CID 43704943
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-2-(cyclopropylmethylamino)acetamide
CID 60867454

Frequently Asked Questions

What is the IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide?
The IUPAC name of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide (CID 65464216) is N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide.
What is the SMILES notation for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide?
The canonical SMILES for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide is CC(=O)N(C)Cc1ccccc1NC(=O)C1(N)CC1.
What is the InChIKey of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide?
The InChIKey is STIXMAKLHNMWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-10(18)17(2)9-11-5-3-4-6-12(11)16-13(19)14(15)7-8-14/h3-6H,7-9,15H2,1-2H3,(H,16,19).
What are the key properties of N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide?
N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide has a molecular weight of 261.32 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[acetyl(methyl)amino]methyl]phenyl]-1-aminocyclopropane-1-carboxamide is sourced from PubChem (CID 65464216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).