N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide

C29H38N2O2 — CID 3573105

IUPACN-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2ccc3ccccc3c2)C(C)CCCN(CC)CC)cc1
InChIInChI=1S/C29H38N2O2/c1-5-30(6-2)20-10-11-23(4)31(22-24-14-18-28(19-15-24)33-7-3)29(32)27-17-16-25-12-8-9-13-26(25)21-27/h8-9,12-19,21,23H,5-7,10-11,20,22H2,1-4H3
InChIKeyWZJVRXGAQIPMSA-UHFFFAOYSA-N
MW446.64 g/mol
LogP6.39
Rot. Bonds12

About N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide

N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide (PubChem CID 3573105) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
PubChem CID3573105
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC NameN-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide
SMILESCCOc1ccc(CN(C(=O)c2ccc3ccccc3c2)C(C)CCCN(CC)CC)cc1
InChIInChI=1S/C29H38N2O2/c1-5-30(6-2)20-10-11-23(4)31(22-24-14-18-28(19-15-24)33-7-3)29(32)27-17-16-25-12-8-9-13-26(25)21-27/h8-9,12-19,21,23H,5-7,10-11,20,22H2,1-4H3
InChIKeyWZJVRXGAQIPMSA-UHFFFAOYSA-N
XLogP6.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[5-(diethylamino)pentan-2-yl-[(4-ethoxyphenyl)methyl]carbamoyl]amino]benzoate
CID 42696660
N-[5-(diethylamino)pentan-2-yl]-N-[(4-phenylmethoxyphenyl)methyl]thiophene-2-carboxamide
CID 42700694
[4-[[[(2R)-butan-2-yl]-(naphthalene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate
CID 7499303
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]naphthalene-2-carboxamide
CID 24546581
3-bromo-N-[5-(diethylamino)pentan-2-yl]-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]benzamide
CID 42704380
N-benzyl-N-[1-[ethyl-(2,2,2-trifluoroacetyl)amino]propan-2-yl]naphthalene-2-carboxamide
CID 142975149
1-[5-(diethylamino)pentan-2-yl]-3-(2-methoxyphenyl)-1-[(4-phenylmethoxyphenyl)methyl]urea
CID 42700707
N-[2-(4-ethoxyphenoxy)ethyl]naphthalene-2-carboxamide
CID 9022506
2-[4-[[methyl(naphthalene-2-carbonyl)amino]methyl]phenoxy]acetic acid
CID 138043891
N-[(3,4-difluorophenyl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 127031794
N-[2-(diethylamino)ethyl]-2-naphthalen-2-yloxypropanamide
CID 45147924
2-(diethylamino)ethyl (2S)-2-(N-benzoyl-4-ethoxyanilino)propanoate
CID 6100743

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide (CID 3573105) is N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide is CCOc1ccc(CN(C(=O)c2ccc3ccccc3c2)C(C)CCCN(CC)CC)cc1.
What is the InChIKey of N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide?
The InChIKey is WZJVRXGAQIPMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-5-30(6-2)20-10-11-23(4)31(22-24-14-18-28(19-15-24)33-7-3)29(32)27-17-16-25-12-8-9-13-26(25)21-27/h8-9,12-19,21,23H,5-7,10-11,20,22H2,1-4H3.
What are the key properties of N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide?
N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide has a molecular weight of 446.64 g/mol, XLogP of 6.39, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylamino)pentan-2-yl]-N-[(4-ethoxyphenyl)methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 3573105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).