3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide

C16H27N3O2 — CID 103388767

IUPAC3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(CCCN)COC)c1
InChIInChI=1S/C16H27N3O2/c1-4-18-16(20)13-8-7-12(2)15(10-13)19-14(11-21-3)6-5-9-17/h7-8,10,14,19H,4-6,9,11,17H2,1-3H3,(H,18,20)
InChIKeyUUMUDSHFVXIMJL-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.91
Rot. Bonds9

About 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide

3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide (PubChem CID 103388767) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide.

Molecular Properties

Compound Name3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
PubChem CID103388767
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
SMILESCCNC(=O)c1ccc(C)c(NC(CCCN)COC)c1
InChIInChI=1S/C16H27N3O2/c1-4-18-16(20)13-8-7-12(2)15(10-13)19-14(11-21-3)6-5-9-17/h7-8,10,14,19H,4-6,9,11,17H2,1-3H3,(H,18,20)
InChIKeyUUMUDSHFVXIMJL-UHFFFAOYSA-N
XLogP1.91
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-4-methyl-3-(pentan-3-ylamino)benzamide
CID 43734934
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
CID 103388830
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754
3-(7-aminoheptanoylamino)-N-ethyl-4-methylbenzamide
CID 119714202
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
5-methoxy-4-N-[2-methyl-5-(tetrazol-1-yl)phenyl]pentane-1,4-diamine
CID 103388349
3-[(4-amino-3-methoxybutanoyl)amino]-N-ethyl-4-methylbenzamide
CID 103154850
5-methoxy-4-N-[2-(2-methoxyethoxy)-4-methylphenyl]pentane-1,4-diamine
CID 103389254
3-acetamido-N-ethyl-4-methylbenzamide
CID 47211029
N-ethyl-4-(heptan-4-ylamino)-3-methylbenzamide
CID 60935830
4-amino-N-ethyl-3-(3-methoxypropylamino)benzamide
CID 63360956

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide?
The IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide (CID 103388767) is 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide.
What is the SMILES notation for 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide?
The canonical SMILES for 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide is CCNC(=O)c1ccc(C)c(NC(CCCN)COC)c1.
What is the InChIKey of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide?
The InChIKey is UUMUDSHFVXIMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-18-16(20)13-8-7-12(2)15(10-13)19-14(11-21-3)6-5-9-17/h7-8,10,14,19H,4-6,9,11,17H2,1-3H3,(H,18,20).
What are the key properties of 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide?
3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide has a molecular weight of 293.41 g/mol, XLogP of 1.91, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide is sourced from PubChem (CID 103388767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).