N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide

C17H29N3O — CID 122692683

IUPACN,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N(CCCN)CCCN)cc1
InChIInChI=1S/C17H29N3O/c1-14(2)16-7-5-15(6-8-16)13-17(21)20(11-3-9-18)12-4-10-19/h5-8,14H,3-4,9-13,18-19H2,1-2H3
InChIKeySJMCDWHEMIMZFY-UHFFFAOYSA-N
MW291.44 g/mol
LogP1.88
Rot. Bonds9

About N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide

N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 122692683) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
PubChem CID122692683
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)N(CCCN)CCCN)cc1
InChIInChI=1S/C17H29N3O/c1-14(2)16-7-5-15(6-8-16)13-17(21)20(11-3-9-18)12-4-10-19/h5-8,14H,3-4,9-13,18-19H2,1-2H3
InChIKeySJMCDWHEMIMZFY-UHFFFAOYSA-N
XLogP1.88
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 63287501
2-(4-aminophenyl)-N,N-dibutylacetamide
CID 28982323
N-(3-aminopropyl)-N-(4-propan-2-ylphenyl)propanamide
CID 28768117
N-(3-aminopropyl)-N-ethyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 62114184
N-(3-aminopropyl)-N-methyl-2-pyridin-4-ylacetamide
CID 115318955
2-(4-aminophenyl)-N-methyl-N-(4-propan-2-ylphenyl)acetamide;hydrochloride
CID 119807717
N,N-bis(2-chloroethyl)-2-(4-chlorophenyl)acetamide
CID 79016632
N-methyl-N-[(4-propan-2-ylphenyl)methyl]acetamide
CID 60631160
1-methyl-1-[2-(4-propan-2-ylphenyl)ethyl]urea
CID 115168591
N-(3-amino-4-methylpentyl)-2-(4-chlorophenyl)-N-methylacetamide
CID 81484430
1-(2-aminoethoxy)-3-(4-propan-2-ylphenyl)propan-2-one
CID 116591045
7-amino-N-methyl-N-(4-propan-2-ylphenyl)heptanamide
CID 119807713

Frequently Asked Questions

What is the IUPAC name of N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide (CID 122692683) is N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)N(CCCN)CCCN)cc1.
What is the InChIKey of N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is SJMCDWHEMIMZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-14(2)16-7-5-15(6-8-16)13-17(21)20(11-3-9-18)12-4-10-19/h5-8,14H,3-4,9-13,18-19H2,1-2H3.
What are the key properties of N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide?
N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 291.44 g/mol, XLogP of 1.88, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(3-aminopropyl)-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 122692683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).