2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide

C22H29N3O — CID 143695976

IUPAC2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide
SMILESCCN(c1ccc(CN(C(=O)C(C)N)c2ccc(C)cc2)cc1)C1CC1
InChIInChI=1S/C22H29N3O/c1-4-24(20-13-14-20)19-11-7-18(8-12-19)15-25(22(26)17(3)23)21-9-5-16(2)6-10-21/h5-12,17,20H,4,13-15,23H2,1-3H3
InChIKeySVZJWXVXOFORSK-UHFFFAOYSA-N
MW351.49 g/mol
LogP3.86
Rot. Bonds7

About 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide

2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide (PubChem CID 143695976) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide
PubChem CID143695976
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC Name2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide
SMILESCCN(c1ccc(CN(C(=O)C(C)N)c2ccc(C)cc2)cc1)C1CC1
InChIInChI=1S/C22H29N3O/c1-4-24(20-13-14-20)19-11-7-18(8-12-19)15-25(22(26)17(3)23)21-9-5-16(2)6-10-21/h5-12,17,20H,4,13-15,23H2,1-3H3
InChIKeySVZJWXVXOFORSK-UHFFFAOYSA-N
XLogP3.86
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-N-cyclopropyl-N-[(4-methylphenyl)methyl]propanamide
CID 66568238
(2R)-2-amino-N-ethyl-N-(4-methylphenyl)propanamide
CID 78979225
(2R)-2-amino-N-benzyl-N-phenylpropanamide
CID 54996061
2-(N-cyclopropyl-4-methylanilino)acetic acid
CID 103439947
2-amino-N-[[6-[cyclopropyl(ethyl)amino]-3-pyridinyl]methyl]-N-(4-fluorophenyl)-4-methylpentanamide
CID 25060782
(2S)-2-amino-N-cyclopropyl-4-methyl-N-[(4-methylphenyl)methyl]pentanamide
CID 61165448
N-(4-methylphenyl)-N-[(4-methylphenyl)methyl]propanamide
CID 139238463
2-amino-N-cyclopropyl-3,3-dimethyl-N-[(4-methylphenyl)methyl]butanamide
CID 76895294
N,1-diethyl-N-(4-methylphenyl)piperidin-4-amine;ethane
CID 143528661
4-amino-N-cyclopropyl-2-methyl-N-[(4-methylphenyl)methyl]butanamide
CID 80543130
N-ethyl-2-methyl-N-(4-methylphenyl)propanamide
CID 60737044
(2S)-2-amino-N-cyclopropyl-N-[(4-propan-2-ylphenyl)methyl]propanamide;hydrochloride
CID 119273120

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide?
The IUPAC name of 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide (CID 143695976) is 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide?
The canonical SMILES for 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide is CCN(c1ccc(CN(C(=O)C(C)N)c2ccc(C)cc2)cc1)C1CC1.
What is the InChIKey of 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide?
The InChIKey is SVZJWXVXOFORSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-4-24(20-13-14-20)19-11-7-18(8-12-19)15-25(22(26)17(3)23)21-9-5-16(2)6-10-21/h5-12,17,20H,4,13-15,23H2,1-3H3.
What are the key properties of 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide?
2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide has a molecular weight of 351.49 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[4-[cyclopropyl(ethyl)amino]phenyl]methyl]-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 143695976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).