2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide

C16H26N2O2 — CID 62497613

IUPAC2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CC(CN)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-13(6-8-15)10-14(11-17)16(19)18-12(2)3/h5-8,12,14H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyDERQNJNUNOUIPA-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.12
Rot. Bonds8

About 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide

2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide (PubChem CID 62497613) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide
PubChem CID62497613
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide
SMILESCCCOc1ccc(CC(CN)C(=O)NC(C)C)cc1
InChIInChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-13(6-8-15)10-14(11-17)16(19)18-12(2)3/h5-8,12,14H,4,9-11,17H2,1-3H3,(H,18,19)
InChIKeyDERQNJNUNOUIPA-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-3-(3-methoxyphenyl)-N-propan-2-ylpropanamide
CID 62081174
(2S)-2-(aminomethyl)-3-(4-ethoxyphenyl)propanamide
CID 29061664
ethane;2-methyl-3-(4-propoxyphenyl)propanoic acid
CID 144819636
2-(aminomethyl)-3-(4-fluoro-3-methylphenyl)-N-propan-2-ylpropanamide
CID 62121929
1-(4-propoxyphenyl)propan-2-amine;hydrochloride
CID 3027264
ethyl 2-[[4-(2-aminoethoxy)phenyl]methyl]pentanoate
CID 18625895
2-amino-N-(4-propoxyphenyl)propanamide
CID 62327124
methyl (2S)-2-[[(2R)-2-azido-3-methylbutanoyl]amino]-3-(4-propoxyphenyl)propanoate
CID 59552634
(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
methyl (2S)-3-[4-(3-aminooxypropoxy)phenyl]-2-methylpropanoate
CID 59873641
2-chloro-N-[(4-propoxyphenyl)methyl]propanamide
CID 82109238
methyl 3-chloro-4-(4-propoxyphenyl)butanoate
CID 82352059

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide?
The IUPAC name of 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide (CID 62497613) is 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide.
What is the SMILES notation for 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide?
The canonical SMILES for 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide is CCCOc1ccc(CC(CN)C(=O)NC(C)C)cc1.
What is the InChIKey of 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide?
The InChIKey is DERQNJNUNOUIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-9-20-15-7-5-13(6-8-15)10-14(11-17)16(19)18-12(2)3/h5-8,12,14H,4,9-11,17H2,1-3H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide?
2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide has a molecular weight of 278.40 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-propan-2-yl-3-(4-propoxyphenyl)propanamide is sourced from PubChem (CID 62497613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).