N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide

C16H26N2O2 — CID 63765536

IUPACN-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(CC)(CC)CN)c1
InChIInChI=1S/C16H26N2O2/c1-4-10-20-14-9-7-8-13(11-14)15(19)18-16(5-2,6-3)12-17/h7-9,11H,4-6,10,12,17H2,1-3H3,(H,18,19)
InChIKeySSHKYRKTBIGDPG-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.72
Rot. Bonds8

About N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide

N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide (PubChem CID 63765536) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
PubChem CID63765536
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NC(CC)(CC)CN)c1
InChIInChI=1S/C16H26N2O2/c1-4-10-20-14-9-7-8-13(11-14)15(19)18-16(5-2,6-3)12-17/h7-9,11H,4-6,10,12,17H2,1-3H3,(H,18,19)
InChIKeySSHKYRKTBIGDPG-UHFFFAOYSA-N
XLogP2.72
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-3-ethoxybenzamide
CID 119571027
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
N-(1-amino-2-cyclopropylpropan-2-yl)-3-propoxybenzamide
CID 81487028
N-[3-(aminomethyl)pentan-3-yl]-3-(pyridin-3-ylmethoxy)benzamide;dihydrochloride
CID 119569679
N-(1-bromo-3-methylpentan-3-yl)-3-propoxybenzamide
CID 106169592
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-[3-(aminomethyl)pentan-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide;dihydrochloride
CID 119570933
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188
3-propoxybenzamide
CID 22311435
N-(2-hydroxy-2-methylbutyl)-3-propoxybenzamide
CID 65112128
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-cyclohexyl-3-propoxybenzamide
CID 4960053

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide (CID 63765536) is N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NC(CC)(CC)CN)c1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide?
The InChIKey is SSHKYRKTBIGDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-4-10-20-14-9-7-8-13(11-14)15(19)18-16(5-2,6-3)12-17/h7-9,11H,4-6,10,12,17H2,1-3H3,(H,18,19).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide?
N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide has a molecular weight of 278.40 g/mol, XLogP of 2.72, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-3-propoxybenzamide is sourced from PubChem (CID 63765536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).