N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide

C17H25ClN2O — CID 115605327

IUPACN-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H25ClN2O/c1-17(2,3)20-15(21)10-11-19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,12,16,19H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyHCZIYFRKHCASHB-UHFFFAOYSA-N
MW308.85 g/mol
LogP3.69
Rot. Bonds6

About N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide

N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide (PubChem CID 115605327) has the molecular formula C17H25ClN2O and a molecular weight of 308.85 g/mol. Its IUPAC name is N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide.

Molecular Properties

Compound NameN-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
PubChem CID115605327
Molecular FormulaC17H25ClN2O
Molecular Weight308.85 g/mol
Exact Mass308.17
IUPAC NameN-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
SMILESCC(C)(C)NC(=O)CCNC(c1ccc(Cl)cc1)C1CC1
InChIInChI=1S/C17H25ClN2O/c1-17(2,3)20-15(21)10-11-19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,12,16,19H,4-5,10-11H2,1-3H3,(H,20,21)
InChIKeyHCZIYFRKHCASHB-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.85
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(4-chlorophenyl)-cyclopropylmethyl]amino]-N-methylacetamide
CID 43226371
N-tert-butyl-2-[[cyclopropyl-(4-fluorophenyl)methyl]amino]acetamide
CID 115356216
N-(5-amino-2-fluorophenyl)-3-[[(S)-(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide
CID 97222318
N-[(4-chlorophenyl)-(4-propan-2-ylcyclohexyl)methyl]propan-1-amine
CID 65424593
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-cyclopentylethanamine
CID 63450392
N-[(4-chlorophenyl)-cyclopropylmethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79552053
1-[[(4-chlorophenyl)-cyclopropylmethyl]amino]pentan-3-ol
CID 115898611
N-[(4-chlorophenyl)-cyclopropylmethyl]-3-methylsulfinylpropan-1-amine
CID 115898470
2-[[(S)-(4-chlorophenyl)-cyclobutylmethyl]amino]ethanol
CID 97333995
N-[(4-chlorophenyl)-cyclopropylmethyl]-N',N'-diethylethane-1,2-diamine
CID 43761796
N-[(4-chlorophenyl)-cyclopropylmethyl]-5-methylhexan-1-amine
CID 115324976
2-[[[(4-chlorophenyl)-cyclopropylmethyl]amino]methyl]-2-ethylbutan-1-ol
CID 106252007

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
The IUPAC name of N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide (CID 115605327) is N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide.
What is the SMILES notation for N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
The canonical SMILES for N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide is CC(C)(C)NC(=O)CCNC(c1ccc(Cl)cc1)C1CC1.
What is the InChIKey of N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
The InChIKey is HCZIYFRKHCASHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O/c1-17(2,3)20-15(21)10-11-19-16(12-4-5-12)13-6-8-14(18)9-7-13/h6-9,12,16,19H,4-5,10-11H2,1-3H3,(H,20,21).
What are the key properties of N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide?
N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide has a molecular weight of 308.85 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[[(4-chlorophenyl)-cyclopropylmethyl]amino]propanamide is sourced from PubChem (CID 115605327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).