(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide

C14H20N2O2 — CID 54995705

IUPAC(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CN(C(=O)[C@@H](C)N)C1CC1
InChIInChI=1S/C14H20N2O2/c1-10(15)14(17)16(12-7-8-12)9-11-5-3-4-6-13(11)18-2/h3-6,10,12H,7-9,15H2,1-2H3/t10-/m1/s1
InChIKeyVBIXVNQRYMWMHX-SNVBAGLBSA-N
MW248.33 g/mol
LogP1.53
Rot. Bonds5

About (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide

(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide (PubChem CID 54995705) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
PubChem CID54995705
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
SMILESCOc1ccccc1CN(C(=O)[C@@H](C)N)C1CC1
InChIInChI=1S/C14H20N2O2/c1-10(15)14(17)16(12-7-8-12)9-11-5-3-4-6-13(11)18-2/h3-6,10,12H,7-9,15H2,1-2H3/t10-/m1/s1
InChIKeyVBIXVNQRYMWMHX-SNVBAGLBSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]butanamide
CID 54872454
(2R)-2-amino-N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]propanamide;hydrochloride
CID 119286967
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
2-amino-N-(2-hydroxyethyl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 54874200
3-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119715374
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
4-[[cyclopropyl-[(2-methoxyphenyl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 122025051
1-cyclopropyl-3-(4-hydroxycyclohexyl)-1-[(2-methoxyphenyl)methyl]urea
CID 110901159
N-cyclopropyl-3-hydroxy-N-[(2-methoxyphenyl)methyl]-3-phenylbutanamide
CID 110024904
5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 91659471
2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
N-cyclopropyl-2-(2-methoxyethylamino)-N-[(2-methoxyphenyl)methyl]acetamide
CID 79272398

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide (CID 54995705) is (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide is COc1ccccc1CN(C(=O)[C@@H](C)N)C1CC1.
What is the InChIKey of (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide?
The InChIKey is VBIXVNQRYMWMHX-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-10(15)14(17)16(12-7-8-12)9-11-5-3-4-6-13(11)18-2/h3-6,10,12H,7-9,15H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide?
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide has a molecular weight of 248.33 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 54995705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).