N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

C15H24ClN3O3 — CID 119798351

IUPACN-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-5-8-21-14(11)15(20)18-7-2-6-17-13(19)10-16-9-12-3-4-12;/h5,8,12,16H,2-4,6-7,9-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyZTCZTTHOYPWINT-UHFFFAOYSA-N
MW329.83 g/mol
LogP1.25
Rot. Bonds9

About N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride

N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (PubChem CID 119798351) has the molecular formula C15H24ClN3O3 and a molecular weight of 329.83 g/mol. Its IUPAC name is N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
PubChem CID119798351
Molecular FormulaC15H24ClN3O3
Molecular Weight329.83 g/mol
Exact Mass329.15
IUPAC NameN-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
SMILESCc1ccoc1C(=O)NCCCNC(=O)CNCC1CC1.Cl
InChIInChI=1S/C15H23N3O3.ClH/c1-11-5-8-21-14(11)15(20)18-7-2-6-17-13(19)10-16-9-12-3-4-12;/h5,8,12,16H,2-4,6-7,9-10H2,1H3,(H,17,19)(H,18,20);1H
InChIKeyZTCZTTHOYPWINT-UHFFFAOYSA-N
XLogP1.25
TPSA83.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[(3-methylfuran-2-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525609
N-[3-(2-bromoethoxy)propyl]-3-methylfuran-2-carboxamide
CID 106307161
3-methyl-N-[3-(3-piperidin-4-ylbutanoylamino)propyl]furan-2-carboxamide
CID 119798362
N-(4-bromobutyl)-3-methylfuran-2-carboxamide
CID 106845761
2-(cyclopropylmethylamino)-N-[3-(2-methylphenoxy)propyl]acetamide;hydrochloride
CID 119772272
N-[3-[(3-methylfuran-2-carbonyl)amino]propyl]pyrrolidine-3-carboxamide
CID 119798376
N-[3-[(3-amino-2-methylbutanoyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 120501389
N-[3-[(1-aminocyclohexanecarbonyl)amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride
CID 119332013
2-(cyclopropylmethylamino)-N-[2-(2-methylphenyl)ethyl]acetamide;hydrochloride
CID 119688191
3-methyl-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659000
5-[3-[(3-methylfuran-2-carbonyl)amino]propylcarbamoyl]thiophene-2-carboxylic acid
CID 119186184
2-[(3-methylfuran-2-carbonyl)amino]ethyl carbamate
CID 75483650

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride (CID 119798351) is N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is Cc1ccoc1C(=O)NCCCNC(=O)CNCC1CC1.Cl.
What is the InChIKey of N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
The InChIKey is ZTCZTTHOYPWINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3.ClH/c1-11-5-8-21-14(11)15(20)18-7-2-6-17-13(19)10-16-9-12-3-4-12;/h5,8,12,16H,2-4,6-7,9-10H2,1H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride?
N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride has a molecular weight of 329.83 g/mol, XLogP of 1.25, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(cyclopropylmethylamino)acetyl]amino]propyl]-3-methylfuran-2-carboxamide;hydrochloride is sourced from PubChem (CID 119798351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).