N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide

C16H26N2O2 — CID 119583468

IUPACN-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-10-20-15-7-5-14(6-8-15)16(19)18(4)13(3)11-17/h5-8,12-13H,9-11,17H2,1-4H3
InChIKeyZXHNWBPTGYRFHO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.53
Rot. Bonds7

About N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide

N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide (PubChem CID 119583468) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
PubChem CID119583468
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC NameN-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide
SMILESCC(C)CCOc1ccc(C(=O)N(C)C(C)CN)cc1
InChIInChI=1S/C16H26N2O2/c1-12(2)9-10-20-15-7-5-14(6-8-15)16(19)18(4)13(3)11-17/h5-8,12-13H,9-11,17H2,1-4H3
InChIKeyZXHNWBPTGYRFHO-UHFFFAOYSA-N
XLogP2.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-4-(cyclopropylmethoxy)-N-methylbenzamide
CID 119582823
N-(1-aminopropan-2-yl)-N-methyl-4-(phenoxymethyl)benzamide
CID 119582860
N-(1-hydroxypropan-2-yl)-N-methyl-4-propoxybenzamide
CID 112548221
N-(1-aminopropan-2-yl)-4-(cyclohexylmethoxy)-N-methylbenzamide;hydrochloride
CID 119584659
N-(1-aminopropan-2-yl)-4-(dimethylamino)-N-methylbenzamide
CID 104556646
1-N-(1-aminopropan-2-yl)-4-N,4-N-diethyl-1-N-methylbenzene-1,4-dicarboxamide
CID 119584199
N-(1-bromopropan-2-yl)-4-butoxy-N-methylbenzamide
CID 104555948
N-(3-amino-2-methylpropyl)-4-(3-methylbutoxy)benzamide;hydrochloride
CID 119996953
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
4-(3-methylbutoxy)-N,N-bis(prop-2-enyl)benzamide
CID 78784427
N-cyclohexyl-N-methyl-4-(3-methylbutoxy)benzamide
CID 4948247
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide (CID 119583468) is N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide is CC(C)CCOc1ccc(C(=O)N(C)C(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide?
The InChIKey is ZXHNWBPTGYRFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-12(2)9-10-20-15-7-5-14(6-8-15)16(19)18(4)13(3)11-17/h5-8,12-13H,9-11,17H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide?
N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide has a molecular weight of 278.40 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-N-methyl-4-(3-methylbutoxy)benzamide is sourced from PubChem (CID 119583468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).