N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide

C15H24N4O2 — CID 76929707

IUPACN-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H24N4O2/c1-4-9-19(11-10-18(2)3)15(20)13-7-5-12(6-8-13)14(16)17-21/h5-8,21H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyLRYHFZLINJMFLO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.19
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide

N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide (PubChem CID 76929707) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide
PubChem CID76929707
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide
SMILESCCCN(CCN(C)C)C(=O)c1ccc(C(N)=NO)cc1
InChIInChI=1S/C15H24N4O2/c1-4-9-19(11-10-18(2)3)15(20)13-7-5-12(6-8-13)14(16)17-21/h5-8,21H,4,9-11H2,1-3H3,(H2,16,17)
InChIKeyLRYHFZLINJMFLO-UHFFFAOYSA-N
XLogP1.19
TPSA82.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-2-oxoethyl)-N-ethyl-4-[(Z)-N'-hydroxycarbamimidoyl]benzamide
CID 103103729
N-ethyl-3-[(Z)-N'-hydroxycarbamimidoyl]-N-propylbenzamide
CID 43269064
4-[(E)-N'-hydroxycarbamimidoyl]-N,N-dimethylbenzamide
CID 165437218
N-[2-(dimethylamino)ethyl]-3,5-dihydroxy-N-propylbenzamide
CID 104939182
N-(2-ethoxyethyl)-4-[(Z)-N'-hydroxycarbamimidoyl]-N-methylbenzamide
CID 81062151
ethane;4-methyl-N,N-dipropylbenzamide
CID 143600655
N-[2-(dimethylamino)ethyl]-3-(N'-hydroxycarbamimidoyl)-N-methylbenzamide
CID 77017462
N,N-diethyl-3,5-bis[4-(N'-hydroxycarbamimidoyl)phenoxy]benzamide
CID 91285588
N-[(2Z)-2-amino-2-hydroxyiminoethyl]-3,4-dihydroxy-N-propylbenzamide
CID 107728907
4-[ethyl(propyl)carbamoyl]benzoic acid
CID 43452972
4-amino-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60946109
4-amino-N-butyl-N-propylbenzamide
CID 127119640

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide (CID 76929707) is N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide is CCCN(CCN(C)C)C(=O)c1ccc(C(N)=NO)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide?
The InChIKey is LRYHFZLINJMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-4-9-19(11-10-18(2)3)15(20)13-7-5-12(6-8-13)14(16)17-21/h5-8,21H,4,9-11H2,1-3H3,(H2,16,17).
What are the key properties of N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide?
N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide has a molecular weight of 292.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide is sourced from PubChem (CID 76929707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).