N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide

C16H20N2O — CID 43319197

IUPACN-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide
SMILESCCN(CCCN)C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-2-18(12-6-11-17)16(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12,17H2,1H3
InChIKeyBMPBVKALTMWWLB-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.65
Rot. Bonds5

About N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide

N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide (PubChem CID 43319197) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide
PubChem CID43319197
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide
SMILESCCN(CCCN)C(=O)c1cccc2ccccc12
InChIInChI=1S/C16H20N2O/c1-2-18(12-6-11-17)16(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12,17H2,1H3
InChIKeyBMPBVKALTMWWLB-UHFFFAOYSA-N
XLogP2.65
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-N-ethyl-1-hydroxynaphthalene-2-carboxamide
CID 43319188
N-[2-(dimethylamino)ethyl]-N-methylnaphthalene-1-carboxamide
CID 110483893
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
N-(3-aminopropyl)-N-[(2S)-2-(3,4-dichlorophenyl)-4-(dimethylamino)butyl]naphthalene-1-carboxamide
CID 58649635
N-(3-aminopropyl)-N-propylquinoline-8-carboxamide
CID 62849856
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
N-(3-aminopropyl)-N-ethyl-3-fluorobenzamide
CID 43136499
N-butyl-2-chloro-N-ethylbenzamide
CID 2164666
N-(3-aminopropyl)-N-ethyl-4-methoxybenzamide
CID 43136513
N,N-diethyl-2-(naphthalen-1-ylamino)benzamide
CID 86200085
N-(2-aminoethyl)-N-ethyl-2-naphthalen-1-ylacetamide
CID 61350278
N,N-diethylisoquinoline-5-carboxamide
CID 86202974

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide (CID 43319197) is N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide is CCN(CCCN)C(=O)c1cccc2ccccc12.
What is the InChIKey of N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide?
The InChIKey is BMPBVKALTMWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-2-18(12-6-11-17)16(19)15-10-5-8-13-7-3-4-9-14(13)15/h3-5,7-10H,2,6,11-12,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide?
N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethylnaphthalene-1-carboxamide is sourced from PubChem (CID 43319197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).