3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide

C15H24ClN3O2 — CID 103388830

IUPAC3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCOCC(CCCN)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H24ClN3O2/c1-19(2)15(20)11-6-7-13(16)14(9-11)18-12(10-21-3)5-4-8-17/h6-7,9,12,18H,4-5,8,10,17H2,1-3H3
InChIKeyYBUHBLCSYZNFPH-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.21
Rot. Bonds8

About 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide

3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide (PubChem CID 103388830) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
PubChem CID103388830
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide
SMILESCOCC(CCCN)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C15H24ClN3O2/c1-19(2)15(20)11-6-7-13(16)14(9-11)18-12(10-21-3)5-4-8-17/h6-7,9,12,18H,4-5,8,10,17H2,1-3H3
InChIKeyYBUHBLCSYZNFPH-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-chloro-5-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103389616
4-chloro-N,N-dimethyl-3-(pentan-3-ylamino)benzamide
CID 43738776
3-[(5-amino-2-methylpentanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 104683767
3-[(5-amino-1-methoxypentan-2-yl)amino]-N-ethyl-4-methylbenzamide
CID 103388767
5-methoxy-4-N-(2,4,5-trichlorophenyl)pentane-1,4-diamine
CID 103387083
methyl 2-[(5-amino-1-methoxypentan-2-yl)amino]-4-chlorobenzoate
CID 103388068
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-methoxybenzamide
CID 103388775
5-[(5-amino-1-methoxypentan-2-yl)amino]-2-chlorobenzamide
CID 103388414
4-N-(4-bromo-2-chlorophenyl)-5-methoxypentane-1,4-diamine
CID 103387782
4-[(5-amino-1-methoxypentan-2-yl)amino]-N-methylbenzamide
CID 103388125
4-N-(5-chloro-2-methoxyphenyl)-5-methoxypentane-1,4-diamine
CID 103387175
ethyl 4-[(5-amino-1-methoxypentan-2-yl)amino]benzoate
CID 103387754

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide?
The IUPAC name of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide (CID 103388830) is 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide is COCC(CCCN)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide?
The InChIKey is YBUHBLCSYZNFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-19(2)15(20)11-6-7-13(16)14(9-11)18-12(10-21-3)5-4-8-17/h6-7,9,12,18H,4-5,8,10,17H2,1-3H3.
What are the key properties of 3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide?
3-[(5-amino-1-methoxypentan-2-yl)amino]-4-chloro-N,N-dimethylbenzamide has a molecular weight of 313.83 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 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]-4-chloro-N,N-dimethylbenzamide is sourced from PubChem (CID 103388830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).