N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide

C14H22N2O2 — CID 107673300

IUPACN-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)N(CCCN)C(C)C)ccc1O
InChIInChI=1S/C14H22N2O2/c1-10(2)16(8-4-7-15)14(18)12-5-6-13(17)11(3)9-12/h5-6,9-10,17H,4,7-8,15H2,1-3H3
InChIKeyCGCDQIGKVGMCNJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.90
Rot. Bonds5

About N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide

N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide (PubChem CID 107673300) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
PubChem CID107673300
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC NameN-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
SMILESCc1cc(C(=O)N(CCCN)C(C)C)ccc1O
InChIInChI=1S/C14H22N2O2/c1-10(2)16(8-4-7-15)14(18)12-5-6-13(17)11(3)9-12/h5-6,9-10,17H,4,7-8,15H2,1-3H3
InChIKeyCGCDQIGKVGMCNJ-UHFFFAOYSA-N
XLogP1.90
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-aminoethyl)-3,4-dimethyl-N-propan-2-ylbenzamide
CID 28707889
N-(cyanomethyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide
CID 103957506
N-(3-aminopropyl)-N-propan-2-ylquinoxaline-6-carboxamide
CID 62850042
N-(3-aminopropyl)-4-tert-butyl-N-propan-2-ylbenzamide
CID 43319284
4-amino-3-methyl-N-pentyl-N-propan-2-ylbenzamide
CID 54905965
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
3-hydroxy-N-(2-hydroxyethyl)-4-methyl-N-propan-2-ylbenzamide
CID 43573118
4-hydroxy-N,3-dimethyl-N-propan-2-ylbenzamide
CID 59238546
N-(2-aminoethyl)-3-hydroxy-4-methoxy-N-propan-2-ylbenzamide
CID 79726380
N-(2-aminoethyl)-3-methoxy-4-methyl-N-propan-2-ylbenzamide
CID 61350677
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The IUPAC name of N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide (CID 107673300) is N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide is Cc1cc(C(=O)N(CCCN)C(C)C)ccc1O.
What is the InChIKey of N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide?
The InChIKey is CGCDQIGKVGMCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16(8-4-7-15)14(18)12-5-6-13(17)11(3)9-12/h5-6,9-10,17H,4,7-8,15H2,1-3H3.
What are the key properties of N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide?
N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide has a molecular weight of 250.34 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-4-hydroxy-3-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 107673300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).